6NFX
MBTD1 MBT repeats
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97891 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 68.607, 124.724, 70.057 |
| Unit cell angles | 90.00, 92.88, 90.00 |
Refinement procedure
| Resolution | 44.600 - 1.950 |
| R-factor | 0.1872 |
| Rwork | 0.185 |
| R-free | 0.22130 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | pdbid 3feo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.656 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.600 | 46.600 | 2.000 |
| High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
| Rmerge | 0.080 | 0.026 | 1.242 |
| Rmeas | 0.094 | 0.031 | 1.475 |
| Rpim | 0.050 | 0.017 | 0.786 |
| Total number of observations | 145714 | 1472 | 10136 |
| Number of reflections | 42419 | ||
| <I/σ(I)> | 10.7 | 40.6 | 1 |
| Completeness [%] | 99.1 | 97.5 | 98.8 |
| Redundancy | 3.4 | 3.3 | 3.4 |
| CC(1/2) | 0.998 | 0.999 | 0.331 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5 | 297 | 10% PEG-6000, 0.1 M sodium citrate |
